Methyl 3,7-dihydroxycholan-24-oate

Base Information Edit

Chemical Name:Methyl 3,7-dihydroxycholan-24-oate
CAS No.:3057-04-3
Molecular Formula:C25H42O4
Molecular Weight:406.606
Hs Code.:
DSSTox Substance ID:DTXSID60952859
Mol file:3057-04-3.mol

Synonyms:DTXSID60952859;Methyl 3,7-dihydroxycholan-24-oate

Suppliers and Price of Methyl 3,7-dihydroxycholan-24-oate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
ChenodeoxycholicAcidMethylEster
250mg
$ 135.00

Medical Isotopes, Inc.
ChenodeoxycholicAcidMethylEster
250 mg
$ 640.00

Medical Isotopes, Inc.
ChenodeoxycholicAcidMethylEster
2.5 g
$ 2120.00

Labseeker
CHENODEOXYCHOLICACIDMETHYLESTER 97
50g
$ 2066.00

Labseeker
CHENODEOXYCHOLICACIDMETHYLESTER 97
20g
$ 1433.00

American Custom Chemicals Corporation
METHYL CHENODEOXYCHOLATE 95.00%
5MG
$ 456.73

Total 16 raw suppliers

Chemical Property of Methyl 3,7-dihydroxycholan-24-oate Edit

Chemical Property:

Vapor Pressure:1.99E-12mmHg at 25°C
Melting Point:85-94 °C
Refractive Index:1.525
Boiling Point:507.6 °C at 760 mmHg
PKA:14.79±0.70(Predicted)
Flash Point:162.1 °C
PSA：66.76000
Density:1.089 g/cm³
LogP:4.56630
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:406.30830982
Heavy Atom Count:29
Complexity:620

Purity/Quality:

99% ^*data from raw suppliers

ChenodeoxycholicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(C4)O)C)O)C
Uses A bile acid with hemolytic properties. Inhibits the initiation of Clostridium difficile spore germination. Anti-inflamatiory activity.

Technology Process of Methyl 3,7-dihydroxycholan-24-oate

There total 18 articles about Methyl 3,7-dihydroxycholan-24-oate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

: 66471-10-1
(R)-4-((7R,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 3057-04-3
chenodeoxycholic acid methyl ester

: 14772-97-5
methyl 3β,7α-dihydroxy-5α-cholan-24-oate

Guidance literature:: With sodium tetrahydroborate; In pyridine; for 20h; Ambient temperature;
DOI:10.1016/0039-128X(89)90022-6

Reference yield:

: 3057-04-3
chenodeoxycholic acid methyl ester

: 10538-59-7
7-ketolithocholic methyl ester

: 7753-72-2
methyl 3,7-dioxocholan-24-oate

Guidance literature:: With potassium tri-sec-butyl-borohydride; at -45 ℃; for 5h;
DOI:10.1016/S0040-4020(01)91473-5

Reference yield:

: 14773-00-3
methyl (5β,7α)-12-hydroxy-3-oxo-cholan-24-oate

: 3057-04-3
chenodeoxycholic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 22 percent / DDQ / dioxane / 4 h / Heating

2: NaBH₄ / methanol / 2 h / Ambient temperature

3: MnO₂ / CHCl₃ / 60 h

4: 19 percent / NaBH₄ / pyridine / 20 h / Ambient temperature

With manganese(IV) oxide; sodium tetrahydroborate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; pyridine; methanol; chloroform;
DOI:10.1016/0039-128X(89)90022-6